1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile

C22H21N3O2 — CID 57122337

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H21N3O2/c23-16-22(17-6-2-1-3-7-17)10-12-24(13-11-22)14-15-25-20(26)18-8-4-5-9-19(18)21(25)27/h1-9H,10-15H2
InChIKeyLYLSVRYPMXVUTF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 57122337) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID57122337
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H21N3O2/c23-16-22(17-6-2-1-3-7-17)10-12-24(13-11-22)14-15-25-20(26)18-8-4-5-9-19(18)21(25)27/h1-9H,10-15H2
InChIKeyLYLSVRYPMXVUTF-UHFFFAOYSA-N
XLogP2.84
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-butyl-1,3-dimethyl-4,6-dioxopyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 24848780
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
CID 163665844
CID 163665844
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439
1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10141437
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
2-[2-(4-benzhydrylpiperazin-1-yl)ethyl]isoindole-1,3-dione
CID 14295610
2-[2-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile
CID 11654882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile (CID 57122337) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is LYLSVRYPMXVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-16-22(17-6-2-1-3-7-17)10-12-24(13-11-22)14-15-25-20(26)18-8-4-5-9-19(18)21(25)27/h1-9H,10-15H2.
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 57122337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).